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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22BrNO3
Molecular Weight 392.287
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2CBCB-NBOME

SMILES

COC1=C2[C@H](CNCC3=C(OC)C=CC=C3)CC2=C(OC)C(Br)=C1

InChI

InChIKey=CLSBQRBXTFTLEX-ZDUSSCGKSA-N
InChI=1S/C19H22BrNO3/c1-22-16-7-5-4-6-12(16)10-21-11-13-8-14-18(13)17(23-2)9-15(20)19(14)24-3/h4-7,9,13,21H,8,10-11H2,1-3H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22BrNO3
Molecular Weight 392.287
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
WGI3S41A26
Record Status Validated (UNII)
Record Version